| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 21st, 2011 | 38 | No |
Popular Name: [(2E)-2-[[4-(diethylamino)phenyl]methylene]-6-hydroxy-3-oxo-benzofuran-7-yl]methylBLAHone [(2E)-2-[[4-(diethylamino)phenyl…
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| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 4.31 | 13.84 | -79.33 | 3 | 7 | 0 | 81 | 513.638 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.31 | 11.58 | -14.93 | 1 | 7 | 0 | 79 | 511.622 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.31 | 12.35 | -59.77 | 0 | 7 | -1 | 82 | 510.614 | 6 | ↓ |
| Hi High (pH 8-9.5) | 4.31 | 14.49 | -50.63 | 1 | 7 | 0 | 83 | 511.622 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.31 | 11.71 | -45.25 | 2 | 7 | 0 | 80 | 512.63 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.31 | 13.73 | -50.41 | 2 | 7 | 1 | 80 | 512.63 | 6 | ↓ |
| Mid Mid (pH 6-8) | 4.31 | 14.6 | -76.78 | 2 | 7 | 0 | 84 | 512.63 | 6 | ↓ |
